0 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CC1=NN=C(N1)N Z951367902 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.2 CC1CCC(N1)C Z1413780490 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,0,0,0|1,0,1]=2 23 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.2 NC1=NN=C(N1)O Z1869802420 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,0,0,0|1,0,2]=3 29 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,0,0,0|0,0,2]=2 30 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,0,0,0|0,0,0]=0 33 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,0,0,0|1,0,0]=1 34 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,0,0,0|1,1,0]=2 36 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,0,0,0|1,0,0]=1 37 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,0,0,0,0,0|1,1,0]=2 39 B7R1.2 O=C1N=C(NN1)S Z1723849188 [0,0,0,0,0,0|2,1,1]=4 40 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,0,0|1,0,2]=4 44 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,0,0,0|1,0,2]=4 48 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,0,0,0|1,0,1]=3 49 B6R1.2 NC1=NC=CN1 Z1262237195 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 NC1=NN=CN1 Z56866006 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 NC1=NNCC1 Z1569708704 [1,0,0,0,0,0|2,0,1]=4 52 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,0,0,0|2,0,1]=4 53 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,0,0,0|1,0,2]=4 56 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,0,0,0|1,0,2]=4 57 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,0,0,0|0,0,1]=2 58 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,0,0,0|1,0,0]=2 60 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,0,0,0|1,0,1]=3 62 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,0,0,0|1,0,1]=3 63 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,0,0,0|1,0,1]=3 64 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,0,0,0|1,0,1]=3 65 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,0,0,0|1,0,1]=3 66 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,0,0,0|2,0,1]=4 67 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,0,0,0|1,0,2]=4 69 B6R1.2 SC1=NC=CN1 Z1198723329 [1,0,0,0,0,0|1,1,1]=4 70 B6R1.2 SC1=NCCN1 Z104497392 [1,0,0,0,0,0|1,1,1]=4 71 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,0,0,0|1,0,1]=3 75 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,0,0,0|1,0,1]=3 77 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [0,1,0,0,0,0|1,1,1]=4 79 B8R1.1 NCC1=CSC(=O)N1 Z1434233458 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,0,0,0|0,0,2]=3 85 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,0,0,0|0,0,2]=3 86 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,0,0,0|1,0,2]=4 87 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,0,0,0|0,0,0]=1 91 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,0,0,0|1,0,1]=3 93 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.18 CC1SC(=NC1=O)N Z57104427 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,1,0,0,0,0|0,0,0]=1 101 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.50 CN1C(=N)NCC1=O Z2526439738 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.50 CN1C(=O)C=CC1=O Z203053858 [0,1,0,0,0,0|0,0,2]=3 108 B8R1.50 CN1C(=O)CN=C1S Z3219957196 [0,1,0,0,0,0|1,1,0]=3 109 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.50 CN1C(=O)NN=C1N Z1203584694 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.50 CN1C(=O)NN=C1S Z57052866 [0,1,0,0,0,0|2,1,0]=4 113 B8R1.50 CN1C(=O)NNC1=O Z1117899218 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.50 NN1C(=O)CSC1=S Z56926530 [0,1,0,0,0,0|1,1,0]=3 115 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,0,0,0|0,0,0]=1 116 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.51 CC1=NS(=O)(=O)CC1 Z2831873328 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CCC(=O)COC Z825742020 [0,0,1,0,0,0|3,0,0]=4 121 B6R0.1 CCNC(=O)CN Z54747476 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.1 CCNC(=O)CO Z431952024 [0,0,1,0,0,0|2,0,1]=4 123 B6R0.1 CONC(=O)CCl Z234816732 [0,0,1,0,0,0|3,0,0]=4 124 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,1,0,0,0|3,0,0]=4 125 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,1,0,0,0|3,0,0]=4 126 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,1,0,0,0|3,0,0]=4 127 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,1,0,0,0|3,0,0]=4 128 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,1,0,0,0|2,0,0]=3 129 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,1,0,0,0|2,0,1]=4 130 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,1,0,0,0|2,0,0]=3 131 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,1,0,0,0|1,0,0]=2 132 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,1,0,0,0|2,0,1]=4 133 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,1,0,0,0|3,0,0]=4 135 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,1,0,0,0|3,0,0]=4 136 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,1,0,0,0|2,0,0]=3 137 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.4 C#CCCC(=O)O Z295890062 [0,0,1,0,0,0|2,0,1]=4 139 B6R0.4 C#CCNC(=O)N Z198194920 [0,0,1,0,0,0|2,0,1]=4 140 B6R0.4 C#CCOC(=O)N Z1203578973 [0,0,1,0,0,0|2,0,1]=4 141 B6R0.4 C=CCCC(=O)C Z406376894 [0,0,1,0,0,0|2,0,0]=3 142 B6R0.4 C=CCCC(=O)O Z995028722 [0,0,1,0,0,0|2,0,0]=3 143 B6R0.4 C=CCCC(C)N Z3681295487 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.4 C=CCNC(=O)C Z32064466 [0,0,1,0,0,0|3,0,0]=4 145 B6R0.4 C=CCNC(=O)N Z56904662 [0,0,1,0,0,0|2,0,0]=3 146 B6R0.4 C=CCNC(=S)N Z56911918 [0,0,1,0,0,0|2,1,0]=4 147 B6R0.4 CC(=O)CCC#N Z1251352415 [0,0,1,0,0,0|2,0,1]=4 148 B6R0.4 CCCCC(=N)N Z1723418909 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.4 CCCCC(=O)N Z104476278 [0,0,1,0,0,0|1,0,1]=3 150 B6R0.4 CCCCC(=O)O Z104473312 [0,0,1,0,0,0|2,0,1]=4 151 B6R0.4 CCCOC(=O)N Z1198148877 [0,0,1,0,0,0|2,0,1]=4 152 B6R0.4 CCNCC(=O)N Z1459435506 [0,0,1,0,0,0|2,0,1]=4 153 B6R0.4 CNCCC(=O)C Z1536943318 [0,0,1,0,0,0|3,0,0]=4 154 B6R0.4 COCCC(=N)N Z1592042674 [0,0,1,0,0,0|3,0,0]=4 155 B6R0.4 COCCC(=O)C Z362119682 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.4 COCCC(=O)N Z394696458 [0,0,1,0,0,0|2,0,0]=3 157 B6R0.4 COCCC(=O)O Z285184634 [0,0,1,0,0,0|3,0,0]=4 158 B6R0.4 CSCCC(=N)N Z1266823407 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.4 CSCCC(=O)O Z54719251 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.4 N#CCCC(=N)N Z3771050569 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.4 N#CCCC(=O)N Z57160408 [0,0,1,0,0,0|1,0,1]=3 162 B6R0.4 N#CCNC(=O)N Z600498544 [0,0,1,0,0,0|2,0,1]=4 163 B6R0.4 NC(=O)CCCO Z1203578394 [0,0,1,0,0,0|0,0,2]=3 164 B6R0.4 NC(=O)NCCF Z1203582184 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.4 NC(=O)OCCO Z1198158440 [0,0,1,0,0,0|1,0,2]=4 166 B6R0.4 NCCCC(=O)N Z398513418 [0,0,1,0,0,0|1,0,1]=3 167 B6R0.4 NCCCC(=O)O Z104475620 [0,0,1,0,0,0|2,0,1]=4 168 B6R0.4 NCCNC(=O)N Z1268152381 [0,0,1,0,0,0|2,0,1]=4 169 B6R0.4 NCCOC(=O)N Z1587257433 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.4 O=C(O)CCCS Z147642510 [0,0,1,0,0,0|1,1,1]=4 171 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [0,0,0,0,0,1|2,0,1]=4 172 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [0,0,0,0,0,1|1,0,2]=4 173 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,0,0,1|1,0,0]=2 174 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,0,0,1|2,0,1]=4 175 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,0,0,1|1,0,1]=3 176 B8R1.3 NC1=NNC(=O)C=C1 Z1723418911 [0,0,0,0,0,1|1,0,2]=4 177 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,0,0,0,0,1|2,0,1]=4 178 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,0,0,0,0,1|1,0,1]=3 179 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,0,0,0,0,1|2,0,1]=4 180 B8R1.3 O=C1C=CC(=CN1)Br Z271004874 [0,0,0,0,0,1|1,0,2]=4 181 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [0,0,0,0,0,1|1,0,2]=4 182 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [0,0,0,0,0,1|0,0,2]=3 183 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,0,0,1|1,0,0]=2 184 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,0,0,1|0,0,0]=1 185 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,0,0,0,0,1|2,0,0]=3 186 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,0,0,1|1,0,0]=2 187 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,0,0,1|2,0,0]=3 188 B8R1.3 O=C1N=CC(=CN1)I Z2471547918 [0,0,0,0,0,1|2,0,1]=4 189 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,0,0,0,0,1|1,0,2]=4 190 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,0,0,1|2,0,0]=3 191 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,0,0,0,0,1|1,0,2]=4 192 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,0,0,1|2,0,1]=4 193 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,0,0,1|2,0,1]=4 194 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,0,0,1|2,0,1]=4 195 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,0,0,1|1,0,1]=3 196 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,0,0,0,0,1|2,0,1]=4 197 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,0,0,1|2,0,1]=4 198 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,0,0,1|1,0,1]=3 199 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,0,0,0,0,1|2,0,0]=3 201 B8R1.4 NC1=CN=CC(=O)N1 Z2756879989 [0,0,0,0,0,1|1,0,2]=4 202 B8R1.4 NC1=NC=CC(=O)N1 Z801295650 [0,0,0,0,0,1|1,0,2]=4 203 B8R1.4 NC1=NC=NC(=O)N1 Z1962222528 [0,0,0,0,0,1|2,0,1]=4 204 B8R1.4 O=C1C=CN=C(N1)S Z56771015 [0,0,0,0,0,1|0,1,2]=4 205 B8R1.4 O=C1C=CNC(=O)N1 Z56889474 [0,0,0,0,0,1|0,0,2]=3 206 B8R1.4 O=C1C=NNC(=O)N1 Z276509088 [0,0,0,0,0,1|1,0,1]=3 207 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,0,0,1|1,0,2]=4 208 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,0,0,0,0,1|0,0,0]=1 209 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,0,0,0,0,1|0,0,0]=1 210 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,0,0,0,0,1|0,0,0]=1 211 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,0,0,0,0,1|0,0,0]=1 212 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,0,0,0,1|1,0,0]=2 213 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,0,0,0,0,1|1,0,0]=2 214 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,0,0,0,0,1|1,0,0]=2 215 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,1,0,0,0|2,0,0]=4 216 B5R0.1 CC(=O)CCO Z906206900 [1,0,1,0,0,0|1,0,1]=4 217 B5R0.1 CC(C)NC=O Z1201617634 [1,0,1,0,0,0|1,0,1]=4 218 B5R0.1 CCCC(=N)N Z1198394172 [1,0,1,0,0,0|1,0,1]=4 219 B5R0.1 CCCC(=O)N Z33546461 [1,0,1,0,0,0|0,0,1]=3 220 B5R0.1 CCCC(=O)O Z104495380 [1,0,1,0,0,0|1,0,1]=4 221 B5R0.1 CCOC(=O)N Z33546369 [1,0,1,0,0,0|1,0,1]=4 222 B5R0.1 CNCC(=O)N Z415678308 [1,0,1,0,0,0|1,0,1]=4 223 B5R0.1 COCC(=O)N Z33546778 [1,0,1,0,0,0|1,0,1]=4 224 B5R0.1 CSCC(=O)N Z33545668 [1,0,1,0,0,0|1,0,1]=4 225 B5R0.1 N#CCC(=O)N Z56896153 [1,0,1,0,0,0|1,0,1]=4 226 B5R0.1 N=C(N)CCO Z1198394167 [1,0,1,0,0,0|1,0,1]=4 227 B5R0.1 N=C(N)NC=O Z1203578554 [1,0,1,0,0,0|2,0,0]=4 228 B5R0.1 NC(=O)CCO Z431951940 [1,0,1,0,0,0|0,0,1]=3 229 B5R0.1 NCCC(=O)N Z415728050 [1,0,1,0,0,0|1,0,0]=3 230 B5R0.1 NCCC(=O)O Z57127544 [1,0,1,0,0,0|2,0,0]=4 231 B5R0.1 O=C(O)CCCl Z203045320 [1,0,1,0,0,0|2,0,0]=4 232 B5R0.1 O=C(O)CCS Z104474322 [1,0,1,0,0,0|1,1,0]=4 233 B5R0.2 C=CCCCN Z993058434 [1,0,1,0,0,0|1,0,1]=4 234 B5R0.2 CCCCC=O Z104472992 [1,0,1,0,0,0|1,0,1]=4 235 B5R0.3 CCC(=O)CC Z104476878 [1,0,1,0,0,0|1,0,1]=4 236 B5R0.3 CCC(=O)CN Z1203579016 [1,0,1,0,0,0|1,0,1]=4 237 B5R0.3 CCC(=O)NN Z56886418 [1,0,1,0,0,0|1,0,0]=3 238 B5R0.3 CCN(C)C=O Z1258520870 [1,0,1,0,0,0|2,0,0]=4 239 B5R0.3 CNC(=O)CCl Z56891219 [1,0,1,0,0,0|1,0,1]=4 240 B5R0.3 CNC(=O)CN Z57981102 [1,0,1,0,0,0|1,0,1]=4 241 B5R0.3 CNC(=O)CO Z431952700 [1,0,1,0,0,0|1,0,1]=4 242 B5R0.3 CNC(=O)CS Z1203730878 [1,0,1,0,0,0|1,0,1]=4 243 B5R1.1 C1=CNC=C1 Z104479036 [2,0,0,0,0,0|0,0,2]=4 244 B5R1.1 C1=CNC=N1 Z104472692 [2,0,0,0,0,0|1,0,1]=4 245 B5R1.1 C1=NN=CN1 Z104479156 [2,0,0,0,0,0|2,0,0]=4 246 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,1,0,0,0|0,0,2]=4 247 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,1,0,0,0|1,0,0]=3 248 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,1,0,0,0|2,0,0]=4 249 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,1,0,0,0|1,0,0]=3 250 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,1,0,0,0|1,0,1]=4 251 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,1,0,0,0|2,0,0]=4 252 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,1,0,0,0|1,0,0]=3 253 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,1,0,0,0|1,0,0]=3 254 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,1,0,0,0|1,0,0]=3 255 B7R0.3 C#CCNC(=O)CC Z220957516 [0,1,1,0,0,0|1,0,1]=4 256 B7R0.3 C=CCNC(=O)CCl Z56899047 [0,1,1,0,0,0|2,0,0]=4 257 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,1,0,0,0|1,0,1]=4 258 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,1,0,0,0|1,0,1]=4 259 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,1,1,0,0,0|1,0,1]=4 260 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,1,1,0,0,0|1,0,1]=4 261 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.7 CCNC(=O)CCCl Z239813542 [0,1,1,0,0,0|1,0,1]=4 263 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,1,0,0,0|1,0,1]=4 264 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,1,0,0,0|1,0,1]=4 265 B7R0.7 CCNC(=O)CNC Z594038090 [0,1,1,0,0,0|1,0,1]=4 266 B7R0.10 CNC(=O)N(C)N=O Z1198155659 [0,1,1,0,0,0|2,0,0]=4 267 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,1,0,0,0|1,0,0]=3 268 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,1,0,0,0|1,0,0]=3 269 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,1,1,0,0,0|1,0,1]=4 270 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,1,1,0,0,0|1,0,1]=4 271 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,1,0,0,0|2,0,0]=4 272 B7R0.4 C=CCNCC(=O)O Z803145546 [0,1,1,0,0,0|2,0,0]=4 273 B7R0.4 C=CCOCC(=O)O Z362807794 [0,1,1,0,0,0|2,0,0]=4 274 B7R0.4 C=CCSCC(=O)O Z149151274 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,1,0,0,0|1,0,1]=4 276 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,1,0,0,0|1,0,1]=4 277 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,1,0,0,0|1,0,1]=4 278 B7R0.4 COCCNC(=O)N Z56904572 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,1,0,0,0|0,0,2]=4 280 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,1,0,0,0|0,0,2]=4 281 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,1,0,0,0|1,0,1]=4 282 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,1,0,0,0|1,0,1]=4 284 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,1,1,0,0,0|1,0,0]=3 285 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,1,1,0,0,0|1,1,0]=4 287 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,1,0,0,0|1,0,1]=4 288 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,1,1,0,0,0|0,0,2]=4 293 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,1,1,0,0,0|1,0,0]=3 294 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,1,1,0,0,0|1,0,0]=3 295 B7R1.1 O=CC1=CC=CN1 Z104478580 [1,1,0,0,0,0|0,0,2]=4 296 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,1,0,0,0,0|1,0,1]=4 297 B7R1.4 CC1CCCC1=O Z813018382 [1,1,0,0,0,0|1,0,1]=4 298 B7R1.4 CC1CCNC1=O Z1198147219 [1,1,0,0,0,0|0,0,1]=3 299 B7R1.4 CC1NCCC1=O Z2733314209 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.4 CN1C=CNC1=O Z1198329852 [1,1,0,0,0,0|1,0,1]=4 301 B7R1.4 CN1C=COC1=O Z2732441923 [1,1,0,0,0,0|1,0,1]=4 302 B7R1.4 CN1C=NNC1=O Z1526503443 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.4 CN1CCCC1=O Z104478382 [1,1,0,0,0,0|0,0,1]=3 304 B7R1.4 CN1CCNC1=O Z336079928 [1,1,0,0,0,0|1,0,1]=4 305 B7R1.4 CN1CNCC1=O Z1601562352 [1,1,0,0,0,0|1,0,1]=4 306 B7R1.4 NC1CCOC1=O Z56921763 [1,1,0,0,0,0|1,0,1]=4 307 B7R1.4 NC1CCSC1=O Z56922158 [1,1,0,0,0,0|1,0,1]=4 308 B7R1.4 NC1CONC1=O Z336087816 [1,1,0,0,0,0|1,0,0]=3 309 B7R1.4 NN1CCOC1=O Z1198147716 [1,1,0,0,0,0|1,0,1]=4 310 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,1,0,0,0,0|1,0,1]=4 311 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [1,1,0,0,0,0|1,0,0]=3 312 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,1,0,0,0,0|1,0,1]=4 313 B7R1.4 N[C@H]1CONC1=O Z1201618622 [1,1,0,0,0,0|1,0,0]=3 314 B7R1.4 O=C1CCCC1Cl Z104492966 [1,1,0,0,0,0|1,0,1]=4 315 B7R1.4 O=C1NCCC1F Z1203745843 [1,1,0,0,0,0|0,0,1]=3 316 B7R1.14 O=S1(=O)CCCN1 Z359508120 [1,1,0,0,0,0|1,0,1]=4 317 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,0,1,0|1,0,1]=4 318 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,1,0,0,1,0|1,0,1]=4 319 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,0,1,0|1,0,1]=4 320 B9R1.1 CSC1=NNC(=O)CS1 Z1741839015 [0,1,0,0,0,1|1,1,0]=4 321 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,1,0,0,0,1|1,0,1]=4 322 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [0,1,0,0,0,1|1,0,1]=4 323 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,1,0,0,0,1|1,0,1]=4 324 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [0,1,0,0,0,1|1,0,1]=4 325 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,1,0,0,0,1|1,0,1]=4 326 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.69 CN1CC(=O)NCC1=O Z1203730954 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.69 CN1CC(CCC1=O)O Z1504678538 [0,1,0,0,0,1|0,0,2]=4 329 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,1,0,0,0,1|1,0,1]=4 331 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,1,0,0,0,1|0,0,2]=4 332 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,0,0,1|0,0,2]=4 333 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [0,1,0,0,0,1|0,0,2]=4 334 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [0,1,0,0,0,1|0,0,2]=4 335 B9R1.2 O=NN1CCNC(=O)C1 Z1203748915 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.3 CC1CNCC(=O)N1C Z3064472006 [0,1,0,0,0,1|1,0,1]=4 337 B9R1.3 CN1C(=O)C=CNC1=O Z2588063529 [0,1,0,0,0,1|0,0,2]=4 338 B9R1.34 CC1=CC(=O)NC(=O)N1 Z56871945 [0,1,0,0,0,1|0,0,2]=4 339 B9R1.34 CC1CC(=CC(=O)O1)O Z1255485574 [0,1,0,0,0,1|1,0,1]=4 340 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [0,1,0,0,0,1|0,0,0]=2 341 B9R1.34 NC1=NC(=O)NC(=O)N1 Z1203578012 [0,1,0,0,0,1|1,0,1]=4 342 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [0,1,0,0,0,1|0,0,0]=2 343 B9R1.34 O=C1CC(=O)NC(=O)N1 Z104473234 [0,1,0,0,0,1|0,0,1]=3 344 B9R1.34 O=C1CC(=O)NC(=S)N1 Z104473236 [0,1,0,0,0,1|0,1,1]=4 345 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [0,1,0,0,0,1|1,0,1]=4 346 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [0,1,0,0,0,1|1,0,1]=4 347 B9R1.66 CS1(=NC(=O)NCC1)=O Z3362224804 [0,1,0,0,0,1|1,0,1]=4 348 B9R1.66 O=C1CCCS(=O)(=O)C1 Z1065610146 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.66 O=C1CCCS(=O)(=O)N1 Z1201624740 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.66 O=C1CS(=O)(=O)CCN1 Z1203748697 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [0,2,0,0,0,0|1,0,1]=4 352 B9R1.7 N#CCC1CCC(=O)N1 Z255150040 [0,2,0,0,0,0|1,0,1]=4 353 B9R1.22 CCC1NC(=O)NC1=O Z270832922 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.22 NCC1NC(=O)NC1=O Z5935085403 [0,2,0,0,0,0|1,0,0]=3 355 B9R1.22 O=C1NC(=O)C(N1)CO Z425453006 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.22 O=C1NC(=O)C(N1)CS Z235339363 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.22 O=C1NC(=O)[C@@H](N1)CO Z1203747347 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,2,0,0,0,0|1,0,1]=4 359 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,2,0,0,0,0|1,0,1]=4 360 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,2,0,0,0,0|0,0,1]=3 361 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,2,0,0,0,0|1,0,1]=4 362 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,2,0,0,0,0|1,0,1]=4 363 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,2,0,0,0,0|0,0,1]=3 364 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,2,0,0,0,0|0,0,1]=3 365 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,2,0,0,0,0|1,0,1]=4 366 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,2,0,0,0,0|1,0,1]=4 367 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,2,0,0,0,0|1,0,1]=4 368 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,2,0,0,0,0|1,0,1]=4 369 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,2,0,0,0,0|1,0,1]=4 370 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,2,0,0,0,0|1,0,1]=4 371 B9R1.125 CC1(CCC(=O)N1)C#N Z1201626413 [0,2,0,0,0,0|1,0,1]=4 372 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [0,2,0,0,0,0|1,0,1]=4 373 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [0,2,0,0,0,0|0,0,2]=4 374 B9R1.132 CN1C(=O)CCC1C=O Z1513985273 [0,2,0,0,0,0|0,0,1]=3 375 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [0,2,0,0,0,0|0,0,2]=4 376 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [0,2,0,0,0,0|1,0,1]=4 377 B9R1.37 CC1=C(C(=O)NC1=O)C Z1117886924 [0,2,0,0,0,0|0,0,2]=4 378 B9R1.37 CC1=CC(=O)N(C1=O)C Z390458732 [0,2,0,0,0,0|0,0,2]=4 379 B9R1.37 CC1C(=O)NC(=O)C1C Z1255493920 [0,2,0,0,0,0|0,0,0]=2 380 B9R1.37 CC1C(=O)NC(=O)N1C Z993897304 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [0,2,0,0,0,0|1,0,1]=4 382 B9R1.37 CN1C(=O)CC(C1=O)N Z1262398536 [0,2,0,0,0,0|0,0,0]=2 383 B9R1.37 CN1C(=O)NC(=O)C1=O Z56963356 [0,2,0,0,0,0|1,0,1]=4 384 B9R1.37 CN1CC(=O)N(C1=N)C Z1998636669 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.37 CN1NC(=O)N(C1=O)C Z2511803350 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.37 O=C1NC(=O)C(=C1Br)Br Z1269146765 [0,2,0,0,0,0|0,0,2]=4 387 B9R1.37 O=C1NC(=O)C(=C1Cl)Cl Z1198158072 [0,2,0,0,0,0|0,0,2]=4 388 B9R1.38 CC1(CC(=O)NC1=O)C Z384975080 [0,2,0,0,0,0|0,0,0]=2 389 B9R1.38 CC1(NC(=O)CC1=O)C Z1258978079 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.38 CC1(NC(=O)NC1=O)C Z56766998 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.38 CC1(OC(=O)NC1=O)C Z1255378932 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.38 CC1(SC(=O)NC1=O)C Z1262691814 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,2,0,0,0,0|1,0,1]=4 394 B9R1.38 CC1CC(C(=O)N1)(C)C Z1203733674 [0,2,0,0,0,0|1,0,1]=4 395 B9R1.27 C=CN1C(=O)C=CC1=O Z2375614796 [0,2,0,0,0,0|0,0,2]=4 396 B9R1.27 CCN1C(=O)C=CC1=O Z205012234 [0,2,0,0,0,0|0,0,2]=4 397 B9R1.27 CCN1C(=O)CNC1=O Z54530685 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.27 N#CN1C(=O)CCC1=O Z1255380411 [0,2,0,0,0,0|0,0,0]=2 399 B9R1.27 O=C1CCC(=O)N1CO Z336080046 [0,2,0,0,0,0|0,0,0]=2 400 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,1,1,0,0|2,0,0]=4 401 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,1,1,0,0|1,0,1]=4 402 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,1,1,0,0|2,0,0]=4 403 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,1,1,0,0|1,0,1]=4 404 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,1,1,0,0|2,0,0]=4 405 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,1,0,1|1,0,1]=4 406 B9R2.25 O=C1NC(=O)C2C1C2 Z491654166 [0,0,0,1,0,1|0,0,0]=2 407 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,0,1|1,0,1]=4 408 B9R2.33 O=C1C[C@@H]2C=C[C@@H]2N1 Z4138892911 [0,1,0,1,0,0|1,0,1]=4 409 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,1,0,1,0|1,0,0]=3 410 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,1,0,1,0|1,0,1]=4 411 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,1,0,1,0|2,0,0]=4 412 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,0,1,0|1,0,0]=3 413 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,0,0,0,0,2|0,0,0]=2 414 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,0,0,0,0,2|0,0,2]=4 415 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,0,0,0,0,2|1,0,1]=4 416 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,0,0,0,0,2|1,0,0]=3 417 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [0,0,0,0,0,2|1,0,0]=3